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MMsINC code: MMs02667397

Type: Ionized
Formula: C₁₉H₃₂NO+

SMILES:

O(C(c1c(cccc1C)C)C1CCCCC1)CC[NH+](C)C

InChI:

InChI=1/C19H31NO/c1-15-9-8-10-16(2)18(15)19(21-14-13-20(3)4)17-11-6-5-7-12-17/h8-10,17,19H,5-7,11-14H2,1-4H3/p+1/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6987 kcal/mol

Physical Properties
Molecular Weight: 290.471 g/mol	logS: -4.49679	SlogP: 3.18144	Reactive groups: 0

Topological Properties
Globularity: 0.306699	Sterimol/B1: 2.07624	Sterimol/B2: 4.25456	Sterimol/B3: 7.16869
Sterimol/B4: 7.98472	Sterimol/L: 12.1464

Surface and Volume Properties
Accessible surface: 560.251	Positive charged surface: 449.708	Negative charged surface: 110.543	Volume: 334.625
Hydrophobic surface: 514.529	Hydrophilic surface: 45.722

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs02667396
PUBCHEM-ZINC00377894